I wish to do my Molecular Dynamics Simulations with a non trivial interaction potential. The potential is a combination of modified following potentials.
1- Leonnard Jones Potential
2- Yukawa Potential
I wish to use the sum of the above potentials while also changing the coefficients of these potentials.
How can I change/create a potential as per my requirement to run in LAMMPS?
Abhiram Reddy
I wish to do my Molecular Dynamics Simulations with a non trivial interaction potential. The potential is a combination of modified following potentials.
1- Leonnard Jones Potential
2- Yukawa PotentialI wish to use the sum of the above potentials while also changing the coefficients of these potentials.
How can I change/create a potential as per my requirement to run in LAMMPS?
this is why LAMMPS has a documentation. please have a look. without
knowing more details, you have in general three options:
- use the hybrid/overlay pair style
- use the table pair style and tabulate each interaction pair
- program a custom pair style in C++ using the two respective
potentials as template
how to do each of this is explained at great length in the LAMMPS documentation.
axel.